MSSC2019@London - Ab initio Modelling in Solid State Chemistry
London Edition (New Users)
Discovering quantum-mechanical simulations with CRYSTAL
http://www.imperial.ac.uk/mssc2019
London (UK), September 16-20, 2019

Directors: S. Casassa - N.M. Harrison - G. Mallia

The Department of Chemistry and the Thomas Young Centre at Imperial College London
and the Theoretical Chemistry Group of the University of Torino, in collaboration
with the Computational Materials Science Group of the Science and Technology
Facilities Council (STFC), are organizing the 2019 MSSC Summer School
on the "ab initio modelling of crystalline and defective solids with the CRYSTAL code".

The week long school is designed for new users of CRYSTAL, PhD students,
Post-Docs and researchers with interests in solid state chemistry,
physics, materials science, surface science, catalysis, magnetism
and nano-science. It will provide an introduction to the capabilities
of quantum mechanical simulations and to the practical use of CRYSTAL.

CRYSTAL is a general-purpose program for the study of periodic solids.
It uses a local basis set comprised of Gaussian type functions and can be used
to perform calculations at the Hartree-Fock, density functional or global and
range-separated hybrid functionals (e.g. B3LYP, HSE06), double hybrid levels of theory.
Analytical first derivatives with respect to the nuclear coordinates and cell parameters
and analytical derivatives, up to fourth order, with respect to an applied electric field
(CPHF/CPKS) are available.

The programme is available at the following link: 
http://www.imperial.ac.uk/mssc2019/programme/

REGISTRATION IS OPEN.

Friday 24 May - Deadline for bursary applications

If you need an invitation letter for visa application,
please proceed with the registration.
http://www.imperial.ac.uk/mssc2019/registration/